Home Sulfos 4-Amino-3,6-disulfo-1,8-naphthalic anhydride dipotassium salt

4-Amino-3,6-disulfo-1,8-naphthalic anhydride dipotassium salt

CAS No.:
79539-35-8
Catalog Number:
AG0051DW
Molecular Formula:
C12H5K2NO9S2
Molecular Weight:
449.4960
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Product Description
Catalog Number:
AG0051DW
Chemical Name:
4-Amino-3,6-disulfo-1,8-naphthalic anhydride dipotassium salt
CAS Number:
79539-35-8
Molecular Formula:
C12H5K2NO9S2
Molecular Weight:
449.4960
MDL Number:
MFCD00012400
IUPAC Name:
dipotassium;8-amino-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-7,11-disulfonate
InChI:
InChI=1S/C12H7NO9S2.2K/c13-10-5-1-4(23(16,17)18)2-6-9(5)7(12(15)22-11(6)14)3-8(10)24(19,20)21;;/h1-3H,13H2,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2
InChI Key:
MIOVHACHHDENNE-UHFFFAOYSA-L
SMILES:
O=C1OC(=O)c2c3c1cc(cc3c(c(c2)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[K+].[K+]
Properties
Complexity:
752  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.868g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
449.487g/mol
Monoisotopic Mass:
448.868g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties